N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide

C14H15N3O2 — CID 111661127

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H15N3O2/c18-8-9-5-6-10(7-9)15-14(19)13-11-3-1-2-4-12(11)16-17-13/h1-6,9-10,18H,7-8H2,(H,15,19)(H,16,17)/t9-,10+/m0/s1
InChIKeyBEPUKVMAALRQTO-VHSXEESVSA-N
MW257.29 g/mol
LogP1.23
Rot. Bonds3

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide (PubChem CID 111661127) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide
PubChem CID111661127
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H15N3O2/c18-8-9-5-6-10(7-9)15-14(19)13-11-3-1-2-4-12(11)16-17-13/h1-6,9-10,18H,7-8H2,(H,15,19)(H,16,17)/t9-,10+/m0/s1
InChIKeyBEPUKVMAALRQTO-VHSXEESVSA-N
XLogP1.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide (CID 111661127) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide?
The InChIKey is BEPUKVMAALRQTO-VHSXEESVSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-8-9-5-6-10(7-9)15-14(19)13-11-3-1-2-4-12(11)16-17-13/h1-6,9-10,18H,7-8H2,(H,15,19)(H,16,17)/t9-,10+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 111661127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).